UCSF

ZINC36408800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 7.33 -14.29 1 7 0 79 384.48 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )